Basic information
- CAS
13165-68-9- Standard SMILES
O=S=Nc1ccc(Cl)cc1- InChIKey
GTKDDSPQJMLGOM-UHFFFAOYSA-N- Molecular formula
- C6H4ClNOS
- Average molar mass
- 173.62 g/mol
- Monoisotopic mass
- 172.9702126
Names & identifiers
- Preferred name
- Benzenamine, 4-chloro-N-sulfinyl-
- IUPAC
- 1-chloro-4-(sulfinylamino)benzene
- English name
- N-Sulfinyl-4-chlorobenzenamine
- Molecular formula
- C6H4ClNOS
- Molecular weight
- 173.62
Names & synonyms
13165-68-9Benzenamine, 4-chloro-N-sulfinyl-DTXSID9065368RefChem:561884DTXCID60340571-chloro-4-(sulfinylamino)benzene4-Chloro-N-sulfinylanilineAniline, p-chloro-N-sulfinyl-MFCD00054490benzene, 1-chloro-4-(sulfinylamino)-4-CHLORO-N-(OXO-??-SULFANYLIDENE)ANILINEN-Sulfinyl-4-chlorobenzenamine
Show more names
4-ChlorosulfinylanilineThionyl-p-chloroanilinep-Chloro-N-thionylanilineN-Sulfinyl-p-chloroanilinep-Chloro-N-sulfinylaniline(p-Chlorophenyl)sulfinylamine4-Chloro-N-sulfinylbenzenamineALBB-026535
Database identifiers
- CAS
13165-68-9- PubChem CID
- 83193
- DTXSID
DTXSID9065368- Nikkaji
- J102.450G
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 30.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 150
Experimental & physicochemical properties
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Physicochemical properties
- Melting point
- 36 °C · 36 °C(Solv: carbon tetrachloride (56-23-5))
- Boiling point
- 102 · 102-106 °C(Press: 12 Torr)
- Density
- 1.37 · 1.37±0.1 g/cm3(Predicted)
- EPA Substance Registry System
- 4 · Benzenamine, 4-chloro-N-sulfinyl- (13165-68-9)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzenamine, 4-chloro-N-sulfinyl-: INACTIVE
Suppliers1 total
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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